Sugi Predict

Sugi Predict / Compounds / SCHEMBL14924931

SCHEMBL14924931

SCHEMBL14924931

CC#CCc1cc(-c2n[nH]c(=S)n2-c2ccc(CN3CCOCC3)cc2)c(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ ILK Q13418 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ STAT3 P40763 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14924973 0.89 CHEK1 (0.43) CHEK1SMN1; SMN2JAK2MAPTDYRK1A
SCHEMBL14029789 0.89 HSP90AA1 (0.40) POLBKMT2ASMN1; SMN2JAK2MAPT
SCHEMBL14768083 0.86 SMN1; SMN2 (0.40) POLBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL14768080 0.84 SMN1; SMN2 (0.36) POLBKMT2ACHEK1SMN1; SMN2MEN1
SCHEMBL14029790 0.83 SMN1; SMN2 (0.36) POLBKMT2ACHEK1SMN1; SMN2JAK2
SCHEMBL14924917 0.81 HSP90AA1 (0.41) POLBKMT2ACHEK1SMN1; SMN2JAK2
SCHEMBL14924993 0.81 CHEK1 (0.43) CHEK1SMN1; SMN2JAK2MAPTDYRK1A
SCHEMBL14927539 0.80 TNKS (0.38) CHEK1SMN1; SMN2MAPTDYRK1AALDH1A1
SCHEMBL14048043 0.80 HSP90AA1 (0.49) POLBKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL14029831 0.78 HSP90AA1 (0.47) CHEK1PARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 POLB 3713/4885KMT2A 3665/4885CHEK1 878/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 POLB 3713/4885KMT2A 3665/4885CHEK1 878/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 POLB 3713/4885KMT2A 3665/4885CHEK1 878/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 POLB 3713/4885KMT2A 3665/4885CHEK1 878/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.